ChemSpider 2D Image | N~2~-[(3,4-Dichlorophenyl)acetyl]-L-lysyl-N-[(trans-4-carbamimidamidocyclohexyl)methyl]-L-lysinamide | C28H46Cl2N8O3

N2-[(3,4-Dichlorophenyl)acetyl]-L-lysyl-N-[(trans-4-carbamimidamidocyclohexyl)methyl]-L-lysinamide

  • Molecular FormulaC28H46Cl2N8O3
  • Average mass613.623 Da
  • Monoisotopic mass612.307007 Da
  • ChemSpider ID35035867

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(S)-6-Amino-N-((S)-6-Amino-1-(((1r,4s)-4-Guanidinocyclohexyl)methylamino)-1-Oxohexan-2-Yl)-2-(2-(3,4-Dichlorophenyl)acetamido)hexanamide
L-Lysinamide, N2-[2-(3,4-dichlorophenyl)acetyl]-L-lysyl-N-[[trans-4-[(aminoiminomethyl)amino]cyclohexyl]methyl]- [ACD/Index Name]
N2-[(3,4-Dichlorophenyl)acetyl]-L-lysyl-N-[(trans-4-carbamimidamidocyclohexyl)methyl]-L-lysinamide [ACD/IUPAC Name]
N2-[(3,4-Dichlorphenyl)acetyl]-L-lysyl-N-[(trans-4-carbamimidamidocyclohexyl)methyl]-L-lysinamid [German] [ACD/IUPAC Name]
N2-[2-(3,4-Dichlorophényl)acétyl]-L-lysyl-N-[(trans-4-carbamimidamidocyclohexyl)méthyl]-L-lysinamide [French] [ACD/IUPAC Name]
EBN
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3344321/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.635
Molar Refractivity: 158.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 11
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 0.35
ACD/LogD (pH 5.5): -4.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 201 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 55.9±7.0 dyne/cm
Molar Volume: 441.9±7.0 cm3

Click to predict properties on the Chemicalize site


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